2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine

C33H37Br2N3 — CID 90243397

IUPAC2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine
SMILESCCCCCCCCCCCCc1ccc(-c2nc(-c3cccc(Br)c3)nc(-c3cccc(Br)c3)n2)cc1
InChIInChI=1S/C33H37Br2N3/c1-2-3-4-5-6-7-8-9-10-11-14-25-19-21-26(22-20-25)31-36-32(27-15-12-17-29(34)23-27)38-33(37-31)28-16-13-18-30(35)24-28/h12-13,15-24H,2-11,14H2,1H3
InChIKeyUXNCJRAJGJATAV-UHFFFAOYSA-N
MW635.49 g/mol
LogP10.86
Rot. Bonds14

About 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine

2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine (PubChem CID 90243397) has the molecular formula C33H37Br2N3 and a molecular weight of 635.49 g/mol. Its IUPAC name is 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine
PubChem CID90243397
Molecular FormulaC33H37Br2N3
Molecular Weight635.49 g/mol
Exact Mass633.14
IUPAC Name2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine
SMILESCCCCCCCCCCCCc1ccc(-c2nc(-c3cccc(Br)c3)nc(-c3cccc(Br)c3)n2)cc1
InChIInChI=1S/C33H37Br2N3/c1-2-3-4-5-6-7-8-9-10-11-14-25-19-21-26(22-20-25)31-36-32(27-15-12-17-29(34)23-27)38-33(37-31)28-16-13-18-30(35)24-28/h12-13,15-24H,2-11,14H2,1H3
InChIKeyUXNCJRAJGJATAV-UHFFFAOYSA-N
XLogP10.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.49
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine
CID 59147599
2-(3-bromophenyl)-5-decylpyrimidine
CID 18934324
1-bromo-3-(4-butylphenyl)benzene
CID 83666147
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
2,4-bis(4,5-dimethyl-2-pyridinyl)-6-(4-hexylphenyl)-1,3,5-triazine
CID 118119401
4-bromo-1-[4-bromo-2-(4-hexylphenyl)phenyl]-2-(4-hexylphenyl)benzene
CID 129157265
1-pentadecyl-4-phenylbenzene
CID 57166115
2-[4-(4-hexylphenyl)phenyl]pyrimidine
CID 57180081
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine (CID 90243397) is 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine is CCCCCCCCCCCCc1ccc(-c2nc(-c3cccc(Br)c3)nc(-c3cccc(Br)c3)n2)cc1.
What is the InChIKey of 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine?
The InChIKey is UXNCJRAJGJATAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37Br2N3/c1-2-3-4-5-6-7-8-9-10-11-14-25-19-21-26(22-20-25)31-36-32(27-15-12-17-29(34)23-27)38-33(37-31)28-16-13-18-30(35)24-28/h12-13,15-24H,2-11,14H2,1H3.
What are the key properties of 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine?
2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine has a molecular weight of 635.49 g/mol, XLogP of 10.86, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine is sourced from PubChem (CID 90243397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).